SCHEMBL30145108

SCHEMBL30145108

COc1ccc(-c2cccc3nn(Cc4nc5nc(Cl)ccc5[nH]4)cc23)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MARS2 Q96GW9 8/20 0.48
▸ DRD4 P21917 2/20 0.35
▸ NOS1 P29475 2/20 0.35
▸ NOS2 P35228 2/20 0.35
▸ NOS3 P29474 1/20 0.35
▸ CRHR1 P34998 3/20 0.35
▸ CYP2C9 P11712 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ CXCR2 P25025 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20596121 1.00 MARS2 (0.48) MARS2DRD4NOS1NOS2NOS3
SCHEMBL20595842 0.86 MARS2 (0.47) MARS2NOS1NOS2NOS3CRHR1
SCHEMBL30145191 0.86 MARS2 (0.47) MARS2NOS1NOS2NOS3CRHR1
SCHEMBL23391441 0.77 MARS2 (0.46) MARS2DRD4NOS1NOS2NOS3
SCHEMBL30145077 0.77 MARS2 (0.46) MARS2DRD4NOS1NOS2NOS3
SCHEMBL23391438 0.76 MARS2 (0.49) MARS2
SCHEMBL30145153 0.76 MARS2 (0.49) MARS2
SCHEMBL20595836 0.76 MARS2 (0.45) MARS2NOS1NOS2NOS3PRMT5
SCHEMBL30145197 0.76 MARS2 (0.45) MARS2NOS1NOS2NOS3PRMT5
SCHEMBL20595855 0.76 MARS2 (0.51) MARS2NOS1NOS2NOS3CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584744-B2 Inhibitors of type 1 methionyl-tRNA synthetase and methods of using them UNIVERSITY OF WASHINGTON (US) 2023-02-21 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11584744-B2 Inhibitors of type 1 methionyl-tRNA synthetase and methods of using them AARS1, EMG1, GARS1 MARS2 12/4885DRD4 4438/4885NOS1 2180/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback